5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
TL;DR: 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole (CAS 714919-26-3) is a chemical compound with molecular formula C13H8ClN3O3S and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-7-chloro-4-nitro-2,1,3-benzoxadiazole
Also Known As: 5-benzylsulfanyl-7-chloro-4-nitro-2,1,3-benzoxadiazole, 5-(benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole, 5-(benzylthio)-7-chloro-4-nitrobenzo[c][1,2,5]oxadiazole
| Molecular Formula | C13H8ClN3O3S |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 4.0767 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.9975 |
| Heavy Atoms | 21 |
| Complexity | 807.0316 |
Chemical Identifiers
| CAS Number | 714919-26-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] |
Product Overview
5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole (CAS 714919-26-3), with molecular formula C13H8ClN3O3S and molecular weight 321.00 g/mol. IUPAC: 5-benzylsulfanyl-7-chloro-4-nitro-2,1,3-benzoxadiazole.
Chemical Property Profile of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
Property Insights of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 4.0767 indicates that 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole is 714919-26-3.
What is the molecular formula of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole is C13H8ClN3O3S.
What is the molecular weight of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole is 321.00 g/mol.
Where can I buy 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzylsulfanyl)-7-chloro-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.